
 MK-912

 50 54  0  0  0  0  0  0  0  0999 V2000
    1.2026   -0.6499    0.3547 C   0  0  0  0  0
    2.4814   -0.1373   -0.1032 N   0  0  0  0  0
    3.2982   -1.0338   -0.9156 C   0  0  0  0  0
    4.5719   -0.4126   -1.4843 C   0  0  0  0  0
    5.1242    0.6498   -0.5284 C   0  0  0  0  0
    5.5189   -0.0002    0.8493 C   0  0  0  0  0
    7.0160   -0.3540    0.9220 C   0  0  0  0  0
    7.8466    0.8417    0.8095 N   0  0  0  0  0
    9.2973    0.5859    0.6536 C   0  0  0  0  0
   10.0674    1.2739   -0.5193 C   0  0  0  0  0
    9.5542    2.6468   -0.7192 C   0  0  0  0  0
    8.2308    2.8921   -0.4627 C   0  0  0  0  0
    7.2237    1.9268    0.0211 C   0  0  0  0  0
    6.4020    1.3099   -1.1239 C   0  0  0  0  0
    7.9217    4.2009   -0.5983 O   0  0  0  0  0
    9.0829    4.8202   -0.9585 C   0  0  0  0  0
    9.2242    6.1898   -1.1640 C   0  0  0  0  0
   10.4953    6.6365   -1.5368 C   0  0  0  0  0
   11.5551    5.7393   -1.6963 C   0  0  0  0  0
   11.3872    4.3648   -1.4673 C   0  0  0  0  0
   10.1206    3.8931   -1.0806 C   0  0  0  0  0
    4.0051    1.6241   -0.3551 N   0  0  0  0  0
    2.7477    1.2116    0.0570 C   0  0  0  0  0
    1.9097    2.0030    0.4863 O   0  0  0  0  0
    4.0609    2.9546   -0.9547 C   0  0  0  0  0
    0.6154    0.1056    0.8872 H   0  0  0  0  0
    1.3858   -1.4882    1.0311 H   0  0  0  0  0
    0.6262   -0.9941   -0.5090 H   0  0  0  0  0
    2.6777   -1.3971   -1.7429 H   0  0  0  0  0
    3.5375   -1.9044   -0.2947 H   0  0  0  0  0
    5.3050   -1.1995   -1.6963 H   0  0  0  0  0
    4.3308    0.0584   -2.4473 H   0  0  0  0  0
    4.9461   -0.9073    1.0618 H   0  0  0  0  0
    5.2815    0.6915    1.6691 H   0  0  0  0  0
    7.2514   -1.0721    0.1250 H   0  0  0  0  0
    7.2242   -0.8512    1.8770 H   0  0  0  0  0
    9.5086   -0.4908    0.6110 H   0  0  0  0  0
    9.7615    0.9338    1.5870 H   0  0  0  0  0
    9.9120    0.6974   -1.4393 H   0  0  0  0  0
   11.1411    1.2812   -0.3034 H   0  0  0  0  0
    6.5622    2.4807    0.6989 H   0  0  0  0  0
    6.1754    2.0461   -1.9018 H   0  0  0  0  0
    7.0110    0.5554   -1.6447 H   0  0  0  0  0
    8.3912    6.8679   -1.0269 H   0  0  0  0  0
   10.6571    7.6985   -1.7033 H   0  0  0  0  0
   12.5316    6.1161   -1.9962 H   0  0  0  0  0
   12.2241    3.6828   -1.5845 H   0  0  0  0  0
    3.1625    3.5411   -0.7456 H   0  0  0  0  0
    4.1179    2.8328   -2.0417 H   0  0  0  0  0
    4.9251    3.5079   -0.5854 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 23  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5 22  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 21  1  0  0  0
 11 12  2  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
MK-912

>  <PubChem CID>
123679

>  <Formula>
C20H25N3O2

>  <Molecular Weight>
339.439000

>  <IUPAC Name>
1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC2(CCN3CCC4=C(C3C2)OC5=CC=CC=C45)N(C1=O)C

>  <Isomeric SMILES>
CN1CCC2(CCN3CCC4=C(C3C2)OC5=CC=CC=C45)N(C1=O)C

>  <InChI Std. ID>
InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3

>  <InChI Key>
JRDUBBHIPPPSLP-UHFFFAOYSA-N

